2-[[5-methyl-4-oxidanylidene-6-(2-thiophen-2-ylethylcarbamoylamino)-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[5-methyl-4-oxidanylidene-6-(2-thiophen-2-ylethylcarbamoylamino)-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[5-methyl-4-oxo-6-[2-(2-thienyl)ethylcarbamoylamino]-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[5-methyl-4-oxo-6-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-methyl-4-oxo-6-(2-thiophen-2-ylethylcarbamoylamino)-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-keto-5-methyl-6-[2-(2-thienyl)ethylcarbamoylamino]-3,1-benzoxazin-2-yl]amino]-3-phenyl-propionic acid Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)NCCC4=CC=CS4

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C25H24N4O5S/c1-15-18(27-24(33)26-12-11-17-8-5-13-35-17)9-10-19-21(15)23(32)34-25(28-19)29-20(22(30)31)14-16-6-3-2-4-7-16/h2-10,13,20H,11-12,14H2,1H3,(H,28,29)(H,30,31)(H2,26,27,33)